pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.23000001907349	QSARToolbox	0	-1	O=P([O-])(O)OC[C@H]1O[C@@H](n2cnc3c2ncn2cc[nH+]c32)[C@H](O)[C@@H]1O,O=P([O-])(O)OC[C@H]1O[C@@H](n2c[nH+]c3c2ncn2ccnc32)[C@H](O)[C@@H]1O,O=P([O-])(O)OC[C@H]1O[C@@H](n2cnc3c2[nH+]cn2ccnc32)[C@H](O)[C@@H]1O	O=P([O-])([O-])OC[C@H]1O[C@@H](n2cnc3c2[nH+]cn2ccnc32)[C@H](O)[C@@H]1O,O=P([O-])(O)OC[C@H]1O[C@@H](n2cnc3c2ncn2ccnc32)[C@H](O)[C@@H]1O	mol37309	O=P(O)(O)OC[C@H]1O[C@@H](n2cnc3c2ncn2ccnc32)[C@H](O)[C@@H]1O